Basic information
- CAS
2942-54-3- Standard SMILES
CCOP(=O)(OCC)C(=O)c1ccc(C)cc1- InChIKey
GESNSNGXHITUQZ-UHFFFAOYSA-N- Molecular formula
- C12H17O4P
- Average molar mass
- 256.23 g/mol
- Monoisotopic mass
- 256.08644602
Names & identifiers
- Preferred name
- Phosphonic acid, (4-methylbenzoyl)-, diethyl ester
- IUPAC
- diethoxyphosphoryl-(4-methylphenyl)methanone
Names & synonyms
2942-54-3Phosphonic acid, (4-methylbenzoyl)-, diethyl esterDTXSID30372868RefChem:370500DTXCID20323900diethyl (4-methylbenzoyl)phosphonateSCHEMBL779782AKOS003600103
Database identifiers
- CAS
2942-54-3- PubChem CID
- 2752010
- DTXSID
DTXSID30372868- Nikkaji
- J1.277.182G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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